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Supramolecular architectures and helical water chains in cocrystals of melamine and aromatic carboxylic acids

机译:三聚氰胺和芳族羧酸共晶体的超分子结构和螺旋水链

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摘要

Melamine (MA) base was crystallized with different aromatic carboxylic acids trimesicacid (TMA), terephthalic acid (TPA), and 3,5-dinitrobenzoic acid (DNBA), affording cocrystals of (MAH(+))-(DNBA(-)) (1), (MAH(+))-(TpA(2-))(0.5)center dot H2O (2), and (MAH(+))-(H(2)TMA(-))center dot 3H(2)O (3). Meanwhile, crystallization of MA and trimellitic acid (H(3)BTA) in a 1:1 ratio in hot methanol solution led to esterification of one carboxylic group in H3BTA, resulting in cocrystals of (MAH(+))center dot(HBTA-M-)-H2O (4). Extensive N-H center dot center dot center dot O/N-H center dot center dot center dot N hydrogen bonds are found in 1-4, featuring different hydrogen-bonding motifs. Compounds 1 and 2 have two-dimensional (2D) layers stabilized by strong N-H center dot center dot center dot O/N-H center dot center dot center dot N hydrogen bonds and weak C-H center dot center dot center dot O hydrogen bonds. Compound 3 exhibits a thermally stable three-dimensional (3D) architecture formed by the stacking of 2D layers, featuring one-dimensional (1D) pores enclosing unusual helical water chains. In compound 4, three kinds of 1D chains are intersected to form a 3D structure consolidated by extensive hydrogen bonds including unusual triple hydrogen bonds between an HMA(+) ion and a carboxylate group.
机译:将三聚氰胺(MA)碱与不同的芳族羧酸均苯三酸(TMA),对苯二甲酸(TPA)和3,5-二硝基苯甲酸(DNBA)结晶,得到(MAH(+))-(DNBA(-))的共晶体(1),(MAH(+))-(TpA(2-))(0.5)中心点H2O(2)和(MAH(+))-(H(2)TMA(-))中心点3H( 2)O(3)。同时,MA和偏苯三酸(H(3)BTA)在热甲醇溶液中以1:1的比例结晶导致H3BTA中的一个羧基酯化,从而形成(MAH(+))中心点(HBTA- M-)-H 2 O(4)。在1-4中发现广泛的N-H中心点中心点中心点O / N-H中心点中心点中心点N个氢键,具有不同的氢键基序。化合物1和2具有通过强N-H中心点中心点中心点O / N-H中心点中心点中心点N氢键和弱C-H中心点中心点中心点O氢键稳定的二维(2D)层。化合物3表现出由2D层的堆叠形成的热稳定三维(3D)结构,其特征是一维(1D)孔包围了不寻常的螺旋水链。在化合物4中,三种1D链相交形成3D结构,该3D结构由广泛的氢键加固,包括HMA(+)离子和羧酸根之间不寻常的三氢键。

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